2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile

C12H14N2O — CID 15365066

IUPAC2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCCCCC2
InChIInChI=1S/C12H14N2O/c13-8-10-7-9-5-3-1-2-4-6-11(9)14-12(10)15/h7H,1-6H2,(H,14,15)
InChIKeyCWEIRXSPJLCVKO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.91
Rot. Bonds

About 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile

2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile (PubChem CID 15365066) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile
PubChem CID15365066
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCCCCC2
InChIInChI=1S/C12H14N2O/c13-8-10-7-9-5-3-1-2-4-6-11(9)14-12(10)15/h7H,1-6H2,(H,14,15)
InChIKeyCWEIRXSPJLCVKO-UHFFFAOYSA-N
XLogP1.91
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile (CID 15365066) is 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCCCCC2.
What is the InChIKey of 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile?
The InChIKey is CWEIRXSPJLCVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-10-7-9-5-3-1-2-4-6-11(9)14-12(10)15/h7H,1-6H2,(H,14,15).
What are the key properties of 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile?
2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 15365066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).